Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzoduazol-2-one

Saber, Asmaa; Kheira Sebbar, Nada; HÖKELEK, TUNCER; Hni, Brahim; Mague, Joel; Essassi, El

doi:10.1107/s2056989018015219

Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-di-hydro-1H-1,3-benzoduazol-2-one

Atıf İçin Kopyala

Saber A., Kheira Sebbar N., HÖKELEK T., Hni B., Mague J. T., Essassi E. M.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.74, ss.1746-1757, 2018 (ESCI)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 74
Basım Tarihi: 2018
Doi Numarası: 10.1107/s2056989018015219
Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
Sayfa Sayıları: ss.1746-1757
Hacettepe Üniversitesi Adresli: Evet

Özet

In the title compound, C21H20N4O2, the intramolecular C-H center dot center dot center dot O hydrogen-bonded benzodiazolone moieties are planar to within 0.017 (1) and 0.026 (1) angstrom, and are oriented at a dihedral angle of 57.35 (3)degrees. In the crystal, two sets of intermolecular C-H center dot center dot center dot O hydrogen bonds generate layers parallel to the be plane. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H center dot center dot center dot H (51.8%), H center dot center dot center dot C/C center dot center dot center dot H (30.7%) and H center dot center dot center dot O/O center dot center dot center dot H (11.2%) interactions.